N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide

C19H16N8O3S — CID 176989202

About N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide

N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide (PubChem CID 176989202) has the molecular formula C19H16N8O3S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide
• PubChem CID: 176989202
• Molecular Formula: C19H16N8O3S
• Molecular Weight: 436.46 g/mol
• Exact Mass: 436.11
• IUPAC Name: N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide
• SMILES: O=C(Nc1nccs1)C1CN(C(=O)c2coc(Cc3ccc(-n4nccn4)cn3)n2)C1
• InChI: InChI=1S/C19H16N8O3S/c28-17(25-19-20-5-6-31-19)12-9-26(10-12)18(29)15-11-30-16(24-15)7-13-1-2-14(8-21-13)27-22-3-4-23-27/h1-6,8,11-12H,7,9-10H2,(H,20,25,28)
• InChIKey: PXYOOMLIJZCKIK-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 131.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.46
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide?

The IUPAC name of N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide (CID 176989202) is N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide.

What is the SMILES notation for N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide?

The canonical SMILES for N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide is O=C(Nc1nccs1)C1CN(C(=O)c2coc(Cc3ccc(-n4nccn4)cn3)n2)C1.

What is the InChIKey of N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide?

The InChIKey is PXYOOMLIJZCKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O3S/c28-17(25-19-20-5-6-31-19)12-9-26(10-12)18(29)15-11-30-16(24-15)7-13-1-2-14(8-21-13)27-22-3-4-23-27/h1-6,8,11-12H,7,9-10H2,(H,20,25,28).

What are the key properties of N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide?

N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide is sourced from PubChem (CID 176989202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).